Geometry & MOs

Info

ID:	180074
PubChem CID:	76572910
Reduced:	O2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	460.391646
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	0.91
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(7,10,12,13-tetramethyl-3-propoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

[CH]C1C(C(C(C(O1)CC2=CC=CC=C2CC3=CC=CC=C3)O)O)O

DOS

IR

Vibrations